Classification of JAK1 Inhibitors and SAR Research by Machine Learning Methods

Classification of JAK1 Inhibitors and SAR Research by Machine Learning Methods

Janus kinase 1 (JAK1) is a key regulator of gene transcription, inhibition of JAK1 is an intervention for many diseases including rheumatoid arthritis and Crohn's disease. In this study, we collected a dataset containing 2982 JAK1 inhibitors, characterized molecules by MACCS fingerprints and Mo...

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Bibliographic Details
Main Authors: Zhenwu Yang, Yujia Tian, Yue Kong, Yushan Zhu, Aixia Yan
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Artificial Intelligence in the Life Sciences
Subjects:
Deep neural networks (DNN)
Janus kinase 1 (JAK1) inhibitor
Molecular modeling
Structure-activity relationship
Substructure analysis
Online Access:http://www.sciencedirect.com/science/article/pii/S2667318522000101

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http://www.sciencedirect.com/science/article/pii/S2667318522000101

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